N-[[2-bromo-4-[(tert-butylamino)methyl]phenyl]methyl]-N-ethylcyclopropanamine

C17H27BrN2 — CID 102769560

IUPACN-[[2-bromo-4-[(tert-butylamino)methyl]phenyl]methyl]-N-ethylcyclopropanamine
SMILESCCN(Cc1ccc(CNC(C)(C)C)cc1Br)C1CC1
InChIInChI=1S/C17H27BrN2/c1-5-20(15-8-9-15)12-14-7-6-13(10-16(14)18)11-19-17(2,3)4/h6-7,10,15,19H,5,8-9,11-12H2,1-4H3
InChIKeyJFDCIGQIPATCHZ-UHFFFAOYSA-N
MW339.32 g/mol
LogP4.32
Rot. Bonds6

About N-[[2-bromo-4-[(tert-butylamino)methyl]phenyl]methyl]-N-ethylcyclopropanamine

N-[[2-bromo-4-[(tert-butylamino)methyl]phenyl]methyl]-N-ethylcyclopropanamine (PubChem CID 102769560) has the molecular formula C17H27BrN2 and a molecular weight of 339.32 g/mol. Its IUPAC name is N-[[2-bromo-4-[(tert-butylamino)methyl]phenyl]methyl]-N-ethylcyclopropanamine.

Molecular Properties

Compound NameN-[[2-bromo-4-[(tert-butylamino)methyl]phenyl]methyl]-N-ethylcyclopropanamine
PubChem CID102769560
Molecular FormulaC17H27BrN2
Molecular Weight339.32 g/mol
Exact Mass338.14
IUPAC NameN-[[2-bromo-4-[(tert-butylamino)methyl]phenyl]methyl]-N-ethylcyclopropanamine
SMILESCCN(Cc1ccc(CNC(C)(C)C)cc1Br)C1CC1
InChIInChI=1S/C17H27BrN2/c1-5-20(15-8-9-15)12-14-7-6-13(10-16(14)18)11-19-17(2,3)4/h6-7,10,15,19H,5,8-9,11-12H2,1-4H3
InChIKeyJFDCIGQIPATCHZ-UHFFFAOYSA-N
XLogP4.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-bromo-4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 102771946
N-[[2-bromo-4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 102770233
N-[[3-bromo-4-[3-(dimethylamino)propoxymethyl]phenyl]methyl]-2-methylpropan-2-amine
CID 102773124
N-[[3-bromo-4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 102768682
N-[[2-bromo-4-(methylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)cyclopentanamine
CID 102771582
N-[[3-bromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 102768697
N-[(4-bromo-2-methylphenyl)methyl]-N-ethylcyclopropanamine
CID 22568961
N-[[3-bromo-4-(4-methylpentoxymethyl)phenyl]methyl]-2-methylpropan-2-amine
CID 102772501
N-[[3-bromo-4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 102772120
4-N-[(2-bromophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79115581
N-[[3-bromo-4-[[ethyl(propyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 102769498
N-[[2-bromo-4-[(propan-2-ylamino)methyl]phenyl]methyl]-N-methylcyclobutanamine
CID 102771970

Frequently Asked Questions

What is the IUPAC name of N-[[2-bromo-4-[(tert-butylamino)methyl]phenyl]methyl]-N-ethylcyclopropanamine?
The IUPAC name of N-[[2-bromo-4-[(tert-butylamino)methyl]phenyl]methyl]-N-ethylcyclopropanamine (CID 102769560) is N-[[2-bromo-4-[(tert-butylamino)methyl]phenyl]methyl]-N-ethylcyclopropanamine.
What is the SMILES notation for N-[[2-bromo-4-[(tert-butylamino)methyl]phenyl]methyl]-N-ethylcyclopropanamine?
The canonical SMILES for N-[[2-bromo-4-[(tert-butylamino)methyl]phenyl]methyl]-N-ethylcyclopropanamine is CCN(Cc1ccc(CNC(C)(C)C)cc1Br)C1CC1.
What is the InChIKey of N-[[2-bromo-4-[(tert-butylamino)methyl]phenyl]methyl]-N-ethylcyclopropanamine?
The InChIKey is JFDCIGQIPATCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2/c1-5-20(15-8-9-15)12-14-7-6-13(10-16(14)18)11-19-17(2,3)4/h6-7,10,15,19H,5,8-9,11-12H2,1-4H3.
What are the key properties of N-[[2-bromo-4-[(tert-butylamino)methyl]phenyl]methyl]-N-ethylcyclopropanamine?
N-[[2-bromo-4-[(tert-butylamino)methyl]phenyl]methyl]-N-ethylcyclopropanamine has a molecular weight of 339.32 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-bromo-4-[(tert-butylamino)methyl]phenyl]methyl]-N-ethylcyclopropanamine is sourced from PubChem (CID 102769560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).